2,6-dimethyl-4-(2-phenylethynyl)-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(2-phenylethynyl)-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-[(E)-cinnamyl]oxycarbonyl-2,6-dimethyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-5-[oxo-[(E)-3-phenylprop-2-enoxy]methyl]-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-4-(2-phenylethynyl)-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-[(E)-cinnamyl]oxycarbonyl-2,6-dimethyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C26H23NO4 MolecularWeight: 413.46512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C#CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/C2=CC=CC=C2)C#CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H23NO4/c1-18-23(25(28)29)22(16-15-21-12-7-4-8-13-21)24(19(2)27-18)26(30)31-17-9-14-20-10-5-3-6-11-20/h3-14,22,27H,17H2,1-2H3,(H,28,29)/b14-9+